isoscoparine

Chemical Formula:

C₂₂H₂₁O₁₁

Molecular Weight:

461.401 Daltons

Monoisotopic Mass:

462.11621154930003 Daltons

SMILES:

COC1(C(=CC=C(C=1)C4(=CC(C2(=C(C=C(C(=C2O)C3(C(C(C(C(CO)O3)O)O)O))[O-])O4))=O))O)

InChI:

1S/C22H22O11/c1-31-13-4-8(2-3-9(13)24)12-5-10(25)16-14(32-12)6-11(26)17(19(16)28)22-21(30)20(29)18(27)15(7-23)33-22/h2-6,15,18,20-24,26-30H,7H2,1H3/p-1/t15-,18-,20+,21-,22+/m1/s1

InChIKey:

KOMUHHCFAXYRPO-DGHBBABESA-M

Synonyms

isocoparin
C-glucosyl-6-chrysoeriol

Databases

MetaCyc: ISOSCOPARIN

RefMet: Isoscoparin

ChEBI: 58407

PubChem (CID): 25203018 442611

KEGG: C05990

CAS: 20013-23-4

Seed: cpd03565

MetaNetX: MNXM4626